N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide

C15H22N2O2S — CID 47383171

IUPACN,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(C)SC
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(19)12-9-7-8-10-13(12)16-14(18)11(3)20-4/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyXQEWJRJANMHHHQ-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.86
Rot. Bonds6

About N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide

N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide (PubChem CID 47383171) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide.

Molecular Properties

Compound NameN,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
PubChem CID47383171
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide
SMILESCCN(CC)C(=O)c1ccccc1NC(=O)C(C)SC
InChIInChI=1S/C15H22N2O2S/c1-5-17(6-2)15(19)12-9-7-8-10-13(12)16-14(18)11(3)20-4/h7-11H,5-6H2,1-4H3,(H,16,18)
InChIKeyXQEWJRJANMHHHQ-UHFFFAOYSA-N
XLogP2.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-1-(2-acetylanilino)-1-oxopropan-2-yl] N,N-diethylcarbamodithioate
CID 9461185
tert-butyl N-ethyl-N-[[2-(2-methylsulfanylpropanoylamino)phenyl]methyl]carbamate
CID 55973003
N,N-diethyl-2-(3-propan-2-yloxypropanoylamino)benzamide
CID 86835537
N,N-diethyl-2-[2-(3-fluorophenoxy)propanoylamino]benzamide
CID 86835519
(2S)-N-(2-iodophenyl)-2-methylsulfanylpropanamide
CID 38886412
N,N-diethyl-2-(1,2,2-tricyanoethenylamino)benzamide
CID 168609753
2-[(2-benzylsulfanylacetyl)amino]-N,N-diethylbenzamide
CID 2985073
N,N-diethyl-2-(propylamino)benzamide
CID 62171276
N,N-diethyl-2-formamidobenzamide
CID 168652158
N,N-diethyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 6458358
N-cyclopentyl-2-(2-methylsulfanylpropanoylamino)benzamide
CID 43077712
N,N-diethyl-2-[[2-(2-methoxyphenyl)acetyl]amino]benzamide
CID 86835472

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The IUPAC name of N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide (CID 47383171) is N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide.
What is the SMILES notation for N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The canonical SMILES for N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide is CCN(CC)C(=O)c1ccccc1NC(=O)C(C)SC.
What is the InChIKey of N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide?
The InChIKey is XQEWJRJANMHHHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-5-17(6-2)15(19)12-9-7-8-10-13(12)16-14(18)11(3)20-4/h7-11H,5-6H2,1-4H3,(H,16,18).
What are the key properties of N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide?
N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide has a molecular weight of 294.42 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2-methylsulfanylpropanoylamino)benzamide is sourced from PubChem (CID 47383171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).